General Information of the Compound
| Compound ID |
CP0388387
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| Compound Name |
(R)-N-((6-fluoro-1-methylnaphthalen-2-yl)methyl)-N-(pyrrolidin-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C17H21FN2O2S
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| Molecular Weight |
336.432
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| Canonical SMILES |
Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12
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| InChI |
InChI=1S/C17H21FN2O2S/c1-12-14(4-3-13-9-15(18)5-6-17(12)13)11-20(23(2,21)22)16-7-8-19-10-16/h3-6,9,16,19H,7-8,10-11H2,1-2H3/t16-/m1/s1
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| InChIKey |
LNIDNIKEDAQTOW-MRXNPFEDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter